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Materials Data on Sr3Bi by Materials Project

Sr3Bi is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded in a distorted see-saw-like geometry to four equivalent Bi atoms. There are two shorter (3.83 Å) and two longer (3.89 Å) Sr–Bi bond lengths. Bi is bonded to twelve equivalent Sr atoms to form a mixture of face and corner-sharing BiSr12 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Sr3Bi(ClO)3 by Materials Project

BiSr3O3Cl3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to three O2- and five Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.59 Å. There are a spread of Sr–Cl bond distances ranging from 3.03–3.54 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to three O2- and four Cl1- atoms. There are one shorter (2.45 Å) and two longer (2.52 Å) Sr–O bond lengths. There are a spread of Sr–Cl bond distances ranging from 2.91–3.30 Å. Bi3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.11 Å) and two longer (2.12 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sr2+ and one Bi3+ atom to form a mixture of distorted corner and edge-sharing OSr3Bi tetrahedra. In the second O2- site, O2- is bonded to three Sr2+ and one Bi3+ atom to form a mixture of distorted corner and edge-sharing OSr3Bi tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four Sr2+ atoms. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to six Sr2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Sr3BiP by Materials Project

Sr3BiP is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one phosphine molecule and one Sr3Bi framework. In the Sr3Bi framework, Sr is bonded in a linear geometry to two equivalent Bi atoms. Both Sr–Bi bond lengths are 3.09 Å. Bi is bonded to six equivalent Sr atoms to form corner-sharing BiSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on Sr3BiN by Materials Project

BiNSr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one Sr3Bi framework. In the Sr3Bi framework, Sr is bonded in a linear geometry to two equivalent Bi atoms. Both Sr–Bi bond lengths are 3.12 Å. Bi is bonded to six equivalent Sr atoms to form corner-sharing BiSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on Sr3Bi2 by Materials Project

Sr3BiBi is High-temperature superconductor-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one bismuth molecule and one Sr3Bi framework. In the Sr3Bi framework, Sr is bonded in a linear geometry to two equivalent Bi atoms. Both Sr–Bi bond lengths are 3.12 Å. Bi is bonded to six equivalent Sr atoms to form corner-sharing BiSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on Sr3BiAs by Materials Project

Sr3BiAs is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one arsenic molecule and one Sr3Bi framework. In the Sr3Bi framework, Sr is bonded in a linear geometry to two equivalent Bi atoms. Both Sr–Bi bond lengths are 3.10 Å. Bi is bonded to six equivalent Sr atoms to form corner-sharing BiSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on Sr3BiSb by Materials Project

Sr3BiSb is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one antimony molecule and one Sr3Bi framework. In the Sr3Bi framework, Sr is bonded in a linear geometry to two equivalent Bi atoms. Both Sr–Bi bond lengths are 3.11 Å. Bi is bonded to six equivalent Sr atoms to form corner-sharing BiSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗